U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiSeO4 by Materials Project
Abstract
NiSeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are two shorter (2.04 Å) and four longer (2.13 Å) Ni–O bond lengths. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There is two shorter (1.65 Å) and two longer (1.71 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one Se6+ atom.
- Publication Date:
- Other Number(s):
- mp-18817
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ni-O-Se; NiSeO4; crystal structure
- OSTI Identifier:
- 1193523
- DOI:
- https://doi.org/10.17188/1193523
Citation Formats
Materials Data on NiSeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193523.
Materials Data on NiSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193523
2020.
"Materials Data on NiSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193523. https://www.osti.gov/servlets/purl/1193523. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1193523,
title = {Materials Data on NiSeO4 by Materials Project},
abstractNote = {NiSeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are two shorter (2.04 Å) and four longer (2.13 Å) Ni–O bond lengths. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There is two shorter (1.65 Å) and two longer (1.71 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one Se6+ atom.},
doi = {10.17188/1193523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 09 04:00:00 UTC 2020},
month = {Sat May 09 04:00:00 UTC 2020}
}